(E)-3-(6-methoxy-3-phenyl-1-benzofuran-5-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]but-2-en-1-one

Systemtic Name: (E)-3-(6-methoxy-3-phenyl-1-benzofuran-5-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]but-2-en-1-one Openeye Name: (E)-3-(6-methoxy-3-phenyl-benzofuran-5-yl)-1-[4-(3-pyridylmethyl)piperazin-1-yl]but-2-en-1-one CAS Name: (E)-3-(6-methoxy-3-phenyl-5-benzofuranyl)-1-[4-(3-pyridinylmethyl)-1-piperazinyl]-2-buten-1-one IUPAC Name: (E)-3-(6-methoxy-3-phenyl-1-benzofuran-5-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]but-2-en-1-one Traditional Name: (E)-3-(6-methoxy-3-phenyl-benzofuran-5-yl)-1-[4-(3-pyridylmethyl)piperazino]but-2-en-1-one Formula: C29H29N3O3 MolecularWeight: 467.55886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCN(CC1)CC2=CN=CC=C2)C3=C(C=C4C(=C3)C(=CO4)C5=CC=CC=C5)OC

Isomeric SMILES

C/C(=C\C(=O)N1CCN(CC1)CC2=CN=CC=C2)/C3=C(C=C4C(=C3)C(=CO4)C5=CC=CC=C5)OC

InChI

InChI=1S/C29H29N3O3/c1-21(15-29(33)32-13-11-31(12-14-32)19-22-7-6-10-30-18-22)24-16-25-26(23-8-4-3-5-9-23)20-35-28(25)17-27(24)34-2/h3-10,15-18,20H,11-14,19H2,1-2H3/b21-15+